Spectral, thermal and optical properties of adenosinium picrate: A nonlinear optical single crystal

Abstract

A new organic nonlinear optical material adenosinium picrate (C10H14N5O4+, C6 H2 N3 O7-) was synthesized. The single crystal X-ray diffraction revealed the non-centrosymmetric crystal structure, which is an essential criterion for second harmonic generation. The crystalline nature of the grown crystals was confirmed using powder XRD techniques. Molecular structure was confirmed by NMR spectral analysis and functional groups were identified by FT-IR spectral analysis. The optical transmittance window and the lower cutoff wavelength of the AP have been identified by UV-vis-NIR studies. Thermo gravimetric analysis (TGA) and differential thermal analysis (DTA) were used to study its thermal properties. Powder test with Nd:YAG laser radiation shows second harmonic generation.

Co-crystals, Salts or Mixtures of Both? The Case of Tenofovir Alafenamide Fumarates

“…In addition, multiple 15 N signals were detected in the region between δN −216 and -220 ppm (only one was observed for TA). The observed differences for TA and TA HCl suggest that protonation occurred on one of the N1, N3 or N7 purine nitrogen atoms, which is consistent with previous literature reports on adenosinium picrate [104]. The protonation of the purine nitrogen atom showed a significant NMR chemical shift change of ca.…”

“…The fundamental question in connection to the tenofovir alafenamide fumarate derivatives' structure that remained to be answered was related to the continuum between the salt and co-crystal states. Indeed, the combination of tenofovir, which possesses an adenine heterocyclic core that contains nitrogen atoms (pK a1 = 4.2, pK a2 = 9.8) [103][104][105][106], and fumaric acid (pK a1 = 3.0, pK a2 = 4.4) [107] might result in complexes with no proton transfer, due to a small ∆pK a (pK a of base -pK a of acid) value of ca. 1.2.…”

“…Recently, we disclosed the preparation of two novel tenofovir alafenamide monofumarate forms II and III: TA MF2 and TA MF3 [102] (Figure 1). Due to the molecular structure of tenofovir alafenamide, which contains an adenine heterocyclic core with several nitrogen atoms (pKa1 = 4.2, pKa2 = 9.8) [103][104][105][106] and the acidity of fumaric acid (pKa1 Due to the molecular structure of tenofovir alafenamide, which contains an adenine heterocyclic core with several nitrogen atoms (pK a1 = 4.2, pK a2 = 9.8) [103][104][105][106] and the acidity of fumaric acid (pK a1 = 3.0, pK a2 = 4.4) [107], this acid-base pair has a small ∆pK a (pK a of base -pK a of acid) value of ca. 1.2.…”

Growth, Characterization and DFT Calculations on 2-Amino-6-Methylpyridinium Hydrogen Glutarate

“…In pyridinium compound, the electron transfer from non-bonding (n) to anti-bonding (π*) orbital i.e., (n→π*) is evident from the absorption edge of the crystal around 356 nm 13 .The absence of absorption in the entire visible region from 400 nm to 800 nm of the grown crystal makes the material suitable for the fabrication of optoelectronic devices. 14,15…”

Growth, structure, spectral and optical properties of semiorganic crystal: Pyridine-1-ium-2-carboxylatehydrogenbromide

“…Picolinic acid is a pyridine compound that has many biological, chemical and medicinal applications also has the tendency to form stable compounds such as picolinic acid hydrochloride [11]. The acid part of the picolinic acid is responsible for favourable chemical, mechanical and thermal properties due to the formation of strong hydrogen bond interactions which stabilize the crystal structure [12,13]. In the present work,single crystals were grown from equimolar compositions of picolinic acid and HBr by slow evaporation technique.…”